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Magnetoelectric (ME) materials are of fundamental interest and have been investigated for their broad potential for technological applications. The search for, and eventually the theoretical design of, materials with large ME couplings…
Multiorbital models are important to both the correlation physics and topological behavior of quantum materials. LiFeAs is a prototype iron pnictide suitable for indepth investigation of this issue. Its electronic structure is strikingly…
The demagnetizing factor N is of both conceptual interest and practical importance. Considering localized magnetic moments on a lattice, we show that for non-ellipsoidal samples, N depends on the spin dimensionality (Ising, XY, or…
The asymmetric time dependence and various statistical properties of polarity reversals of the Earth's magnetic field are utilized to infer some of the most essential parameters of the geodynamo, among them the effective (turbulent)…
The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…
The magnetic response and fluxoid transitions of superconducting aluminum rings of various sizes, deposited under conditions likely to generate a layered structure, show good agreement with a two-order-parameter Ginzburg-Landau model. For…
A second order accurate, linear numerical method is analyzed for the Landau-Lifshitz equation with large damping parameters. This equation describes the dynamics of magnetization, with a non-convexity constraint of unit length of the…
The Landau-Lifshitz-Gilbert equation yields a mathematical model to describe the evolution of the magnetization of a magnetic material, particularly in response to an external applied magnetic field. It allows one to take into account…
Relativistic ab initio calculations have been performed to assess the suitability of RaF for experimental search of P- and T,P-violating interactions. The parameters of P- and T,P-odd terms of the spin-rotational Hamiltonian have been…
We calculate via the effective field theory (EFT) approach the next-to-next-to-leading order (NNLO) spin1-spin2 conservative potential for a binary. Hereby, we first demonstrate the ability of the EFT approach to go at NNLO in…
We present results of first-principles calculations of the magnetic properties of Fe chains deposited on the Re(0001) surface. By increasing the length of the chain, a transition is found from an almost collinear antiferromagnetic state for…
Based on a recent claim [Phys. Rev. Lett. 116, 127203 (2016)] that electron vortex can be used to image magnetism at the nanoscale in elastic scattering experiments, using transmission electron microscopy, a comprehensive computational…
We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…
Radical-ion pairs and their reactions have triggered the study of quantum effects in biological systems. This is because they exhibit a number of effects best understood within quantum information science, and at the same time are central…
Within the framework of natural orbital functional theory, having a convenient representation of the occupation numbers and orbitals becomes critical for the computational performance of the calculations. Recognizing this, we propose an…
Magnetic force microscopy and scanning tunneling microscopy data could be used to test computer numerical models of magnetism. The elaborated numerical model of a face-centered lattice Ising spins is based on pixel distribution in the image…
Determining the spin Hamiltonian of a magnetic compound is crucial for understanding its magnetic properties. A standard approach is to derive model parameters from $ab$ $initio$ calculations based on the crystal structure. However, the…
A new theory for the dynamics of the magnetic particles and their magnetic moments in ferrofluids is developed. Based on a generalized Lagrangian formulation for the equations of motion of the colloidal particle, we introduce its…
By combining first-principles electronic-structure calculations with the model Hamiltonian approach, we systematically study the magnetic properties of sodium superoxide (NaO2), originating from interacting superoxide molecules. We show…
We have studied the relaxation of a spin-polarized gas in a magnetic field, in the presence of short-range spin-dependent interactions. As a main result we have established a link between the specific properties of the interaction and the…